N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide

C21H28N4O5 — CID 29343773

IUPACN'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)N2CCOCC2)c(OC)c1
InChIInChI=1S/C21H28N4O5/c1-24-8-4-5-17(24)18(25-9-11-30-12-10-25)14-22-20(26)21(27)23-16-7-6-15(28-2)13-19(16)29-3/h4-8,13,18H,9-12,14H2,1-3H3,(H,22,26)(H,23,27)/t18-/m1/s1
InChIKeyVBPVWRBZQHKZKX-GOSISDBHSA-N
MW416.48 g/mol
LogP1.17
Rot. Bonds7

About N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide

N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide (PubChem CID 29343773) has the molecular formula C21H28N4O5 and a molecular weight of 416.48 g/mol. Its IUPAC name is N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
PubChem CID29343773
Molecular FormulaC21H28N4O5
Molecular Weight416.48 g/mol
Exact Mass416.21
IUPAC NameN'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)N2CCOCC2)c(OC)c1
InChIInChI=1S/C21H28N4O5/c1-24-8-4-5-17(24)18(25-9-11-30-12-10-25)14-22-20(26)21(27)23-16-7-6-15(28-2)13-19(16)29-3/h4-8,13,18H,9-12,14H2,1-3H3,(H,22,26)(H,23,27)/t18-/m1/s1
InChIKeyVBPVWRBZQHKZKX-GOSISDBHSA-N
XLogP1.17
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 42264810
N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]oxamide
CID 30576321
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 29343723
2-(2-methoxyphenoxy)-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 29341504
N'-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide
CID 18589257
N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]oxamide
CID 40948022
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 29343916
N'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835584
N'-[(2R)-2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 29343975
N'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide
CID 16813231
2,4,6-trimethyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 29341437
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 29343782

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide?
The IUPAC name of N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide (CID 29343773) is N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide.
What is the SMILES notation for N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide?
The canonical SMILES for N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide is COc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)N2CCOCC2)c(OC)c1.
What is the InChIKey of N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide?
The InChIKey is VBPVWRBZQHKZKX-GOSISDBHSA-N. The full InChI is InChI=1S/C21H28N4O5/c1-24-8-4-5-17(24)18(25-9-11-30-12-10-25)14-22-20(26)21(27)23-16-7-6-15(28-2)13-19(16)29-3/h4-8,13,18H,9-12,14H2,1-3H3,(H,22,26)(H,23,27)/t18-/m1/s1.
What are the key properties of N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide?
N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide has a molecular weight of 416.48 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide is sourced from PubChem (CID 29343773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).